2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline

C27H26N3P — CID 138547419

IUPAC2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline
SMILESCN(CC/N=N/c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N3P/c1-30(22-21-28-29-23-13-5-2-6-14-23)26-19-11-12-20-27(26)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20H,21-22H2,1H3/b29-28+
InChIKeyADQFXBLNIBNIMP-ZQHSETAFSA-N
MW423.50 g/mol
LogP5.66
Rot. Bonds8

About 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline

2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline (PubChem CID 138547419) has the molecular formula C27H26N3P and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline
PubChem CID138547419
Molecular FormulaC27H26N3P
Molecular Weight423.50 g/mol
Exact Mass423.19
IUPAC Name2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline
SMILESCN(CC/N=N/c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N3P/c1-30(22-21-28-29-23-13-5-2-6-14-23)26-19-11-12-20-27(26)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20H,21-22H2,1H3/b29-28+
InChIKeyADQFXBLNIBNIMP-ZQHSETAFSA-N
XLogP5.66
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline?
The IUPAC name of 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline (CID 138547419) is 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline.
What is the SMILES notation for 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline?
The canonical SMILES for 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline is CN(CC/N=N/c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline?
The InChIKey is ADQFXBLNIBNIMP-ZQHSETAFSA-N. The full InChI is InChI=1S/C27H26N3P/c1-30(22-21-28-29-23-13-5-2-6-14-23)26-19-11-12-20-27(26)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20H,21-22H2,1H3/b29-28+.
What are the key properties of 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline?
2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline has a molecular weight of 423.50 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline is sourced from PubChem (CID 138547419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).